3,6-dichloro-4-(1-methylcyclopropyl)pyridazine

C8H8Cl2N2 — CID 14024166

IUPAC3,6-dichloro-4-(1-methylcyclopropyl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C8H8Cl2N2/c1-8(2-3-8)5-4-6(9)11-12-7(5)10/h4H,2-3H2,1H3
InChIKeyNBMUZAPJEIXTHB-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.83
Rot. Bonds1

About 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine

3,6-dichloro-4-(1-methylcyclopropyl)pyridazine (PubChem CID 14024166) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-methylcyclopropyl)pyridazine
PubChem CID14024166
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name3,6-dichloro-4-(1-methylcyclopropyl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C8H8Cl2N2/c1-8(2-3-8)5-4-6(9)11-12-7(5)10/h4H,2-3H2,1H3
InChIKeyNBMUZAPJEIXTHB-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine (CID 14024166) is 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine is CC1(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine?
The InChIKey is NBMUZAPJEIXTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-8(2-3-8)5-4-6(9)11-12-7(5)10/h4H,2-3H2,1H3.
What are the key properties of 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine?
3,6-dichloro-4-(1-methylcyclopropyl)pyridazine has a molecular weight of 203.07 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(1-methylcyclopropyl)pyridazine is sourced from PubChem (CID 14024166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).